Chem
J-GLOBAL ID：201407021140802791   Nikkaji number：J3.305.782B

4aα,6-Dimethyl-8aα-phenyl-3β,8β-cyclo-3,4,8,8a-tetrahydro-2H-1-benzopyran-5(4aH)-one

(1S,2S,6R,8R)-4,6-ジメチル-1-フェニル-10-オキサトリシクロ[4.4.0.02,8]デカ-3-エン-5-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H18O2
Molecular formula furigana： C17-H18-O2
Molecular weight： 254.329
InChI： InChI=1S/C17H18O2/c1-11-8-14-12-9-16(2,15(11)18)17(14,19-10-12)13-6-4-3-5-7-13/h3-8,12,14H,9-10H2,1-2H3/t12-,14-,16-,17+/m0/s1
InChI key： SQSHIQIXTHZCLS-ZFZWDLNGSA-N
SMILES： CC1=C[C@H]2[C@@H]3CO[C@@]2(c2ccccc2)[C@@](C)(C3)C1=O
Systematic name  (3)：
  • 4aα,6-ジメチル-8aα-フェニル-3β,8β-シクロ-3,4,8,8a-テトラヒドロ-2H-1-ベンゾピラン-5(4aH)-オン
  • (1S,2S,6R,8R)-4,6-ジメチル-1-フェニル-10-オキサトリシクロ[4.4.0.02,8]デカ-3-エン-5-オン
  • (1S,2S,6R,8R)-4,6-dimethyl-1-phenyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-one
Other name (1)：
  • 4aα,6-Dimethyl-8aα-phenyl-3β,8β-cyclo-3,4,8,8a-tetrahydro-2H-1-benzopyran-5(4aH)-one
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